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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 366.4
BDBM50273040

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273040
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-me...)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-9-11-18(12-10-17)19-5-4-6-20(15-19)25(28)27-14-13-22-21-7-2-3-8-23(21)26-24(22)16-27/h2-12,15,26H,13-14,16H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50273040
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-me...)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-9-11-18(12-10-17)19-5-4-6-20(15-19)25(28)27-14-13-22-21-7-2-3-8-23(21)26-24(22)16-27/h2-12,15,26H,13-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.66E+5n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair